CID 383894

Nsc672805

Structural Information

Molecular Formula
C15H14F3N3O
SMILES
CC(C1=CC(=CC=C1)C(F)(F)F)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C15H14F3N3O/c1-10(12-3-2-4-13(9-12)15(16,17)18)20-21-14(22)11-5-7-19-8-6-11/h2-10,20H,1H3,(H,21,22)
InChIKey
HOLGGBLXWXDABY-UHFFFAOYSA-N
Compound name
N'-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.1089 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11618 167.7
[M+Na]+ 332.09812 173.4
[M-H]- 308.10162 168.9
[M+NH4]+ 327.14272 179.9
[M+K]+ 348.07206 169.0
[M+H-H2O]+ 292.10616 156.3
[M+HCOO]- 354.10710 186.0
[M+CH3COO]- 368.12275 208.8
[M+Na-2H]- 330.08357 172.0
[M]+ 309.10835 162.0
[M]- 309.10945 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.